2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

C13H7ClN4S — CID 829685

IUPAC2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1Cl
InChIInChI=1S/C13H7ClN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)18-13(19)9(11)6-16/h1-4H,(H3,17,18,19)
InChIKeyMHFIHCSFYKNHIK-UHFFFAOYSA-N
MW286.75 g/mol
LogP3.39
Rot. Bonds1

About 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (PubChem CID 829685) has the molecular formula C13H7ClN4S and a molecular weight of 286.75 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
PubChem CID829685
Molecular FormulaC13H7ClN4S
Molecular Weight286.75 g/mol
Exact Mass286.01
IUPAC Name2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1Cl
InChIInChI=1S/C13H7ClN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)18-13(19)9(11)6-16/h1-4H,(H3,17,18,19)
InChIKeyMHFIHCSFYKNHIK-UHFFFAOYSA-N
XLogP3.39
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (CID 829685) is 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1Cl.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is MHFIHCSFYKNHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)18-13(19)9(11)6-16/h1-4H,(H3,17,18,19).
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 286.75 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 829685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).